Chem
J-GLOBAL ID：200907007746178845   Nikkaji number：J1.399.679B

1,1′,10,10′-[1-Methyl-2-[4-methyl-2,5-bis[(S)-2-methylbutoxy]phenyl]pyrrolidine-3,3,4,4-tetryl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene

1′-メチル-2′-[4-メチル-2,5-ビス[(S)-2-メチルブトキシ]フェニル]-1′,5′-ジヒドロ-2′H-[C60]フラーレノ[1,9-c]ピロール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C80H33NO2
Molecular formula furigana： C80-H33-N-O2
Molecular weight： 1040.148
InChI： InChI=1S/C80H33NO2/c1-7-14(3)11-82-18-10-17(19(9-16(18)5)83-12-15(4)8-2)78-80-76-70-64-54-42-34-26-22-20-21-24-28(26)36(42)46-40-32(24)33-25(21)29-27-23(20)31-30(22)38-44(34)52-58-48(38)49-39(31)45-35(27)43-37(29)47-41(33)51-50(40)62(56(46)64)72(76)73-63(51)57(47)65-55(43)61-53(45)59(49)67-66(58)74(68(70)60(52)54)79(80,13-81(78)6)75(67)69(61)71(65)77(73)80/h9-10,14-15,78H,7-8,11-13H2,1-6H3/t14-,15-,78?,79?,80?/m0/s1
InChI key： HERLUIMDXHEHJO-HZQMJGGRSA-N
SMILES： CC[C@H](C)COc1cc(C2N(C)CC34c5c6c7c3c3c8c9c%10c%11c(c%12c5c5c%13c6c6c%14c7c7c3c3c8c8c%10c%10c%15c%11c%11c%12c5c5c%12c%13c6c6c%13c%14c7c7c3c3c8c%10c8c%10c%15c%11c5c5c%12c6c6c%13c7c3c8c6c%105)C249)c(OC[C@@H](C)CC)cc1C
Systematic name  (3)：
  • 1,1′,10,10′-[1-メチル-2-[4-メチル-2,5-ビス[(S)-2-メチルブトキシ]フェニル]ピロリジン-3,3,4,4-テトライル]-1′′,6′,7′,10′′-(1,1,2,2-エテンテトライル)-6,6′′,7,7′′-(1,1,2,2-エテンテトライル)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-ベンゼンヘキサイル)-5,5′′:8,8′′:8′,9′′:9,9′-テトラキスシクロ-2,2′:5′,2′′-テルフルオランテン
  • 36-メチル-37-{4-メチル-2,5-ビス[(2S)-2-メチルブトキシ]フェニル}-36-アザドトリアコンタシクロ[14.13.31.13,31.18,12.113,21.02,10.04,39.05,9.06,41.07,60.011,29.014,19.017,58.018,52.020,51.022,27.023,50.024,48.025,32.026,30.033,47.034,38.034,45.040,44.042,59.043,56.046,55.049,54.053,57.015,63.028,62.038,61]トリヘキサコンタ-1,3,5,7(60),8(63),9,11,13,15,17,19,21(62),22(27),23(50),24,26(30),28,31(61),32,39,41,43(56),44,46,48,51,53(57),54,58-ノナコサエン
  • 36-methyl-37-{4-methyl-2,5-bis[(2S)-2-methylbutoxy]phenyl}-36-azadotriacontacyclo[14.13.31.13,31.18,12.113,21.02,10.04,39.05,9.06,41.07,60.011,29.014,19.017,58.018,52.020,51.022,27.023,50.024,48.025,32.026,30.033,47.034,38.034,45.040,44.042,59.043,56.046,55.049,54.053,57.015,63.028,62.038,61]trihexaconta-1,3,5,7(60),8(63),9,11,13,15,17,19,21(62),22(27),23(50),24,26(30),28,31(61),32,39,41,43(56),44,46,48,51,53(57),54,58-nonacosaene
Other name (2)：
  • 1,1′,10,10′-[1-Methyl-2-[4-methyl-2,5-bis[(S)-2-methylbutoxy]phenyl]pyrrolidine-3,3,4,4-tetryl]-1′′,6′,7′,10′′-(1,1,2,2-ethenetetryl)-6,6′′,7,7′′-(1,1,2,2-ethenetetryl)-4,3,3′,4′,3′′,4′′-(1,2,3,4,5,6-benzenehexyl)-5,5′′:8,8′′:8′,9′′:9,9′-tetrakiscyclo-2,2′:5′,2′′-terfluoranthene
  • 1′-メチル-2′-[4-メチル-2,5-ビス[(S)-2-メチルブトキシ]フェニル]-1′,5′-ジヒドロ-2′H-[C60]フラーレノ[1,9-c]ピロール
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